CID 3384605

1,1'-(hexane-1,6-diyl)bis(3-phenylurea)

Structural Information

Molecular Formula
C20H26N4O2
SMILES
C1=CC=C(C=C1)NC(=O)NCCCCCCNC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C20H26N4O2/c25-19(23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)24-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H2,21,23,25)(H2,22,24,26)
InChIKey
URUCLTKPYLOMGJ-UHFFFAOYSA-N
Compound name
1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

354.20557 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21285 184.4
[M+Na]+ 377.19479 184.9
[M-H]- 353.19829 189.5
[M+NH4]+ 372.23939 195.1
[M+K]+ 393.16873 180.9
[M+H-H2O]+ 337.20283 174.2
[M+HCOO]- 399.20377 209.6
[M+CH3COO]- 413.21942 222.0
[M+Na-2H]- 375.18024 188.8
[M]+ 354.20502 182.5
[M]- 354.20612 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe